1.0 2020-03-25 16:43:05 UTC 2020-04-22 19:02:37 UTC BMDB0097149 TG(14:0/22:0/14:1(9Z)) 1-Myristoyl-2-behenoyl-3-myristoleoyl-glycerol 1-Tetradecanoyl-2-docosanoyl-3-(9Z-tetradecenoyl)-glycerol TAG(14:0/22:0/14:1) TAG(50:1) TG(14:0/22:0/14:1) TG(50:1) Tracylglycerol(14:0/22:0/14:1) Tracylglycerol(50:1) Triacylglycerol Triglyceride TG(14:0/22:0/14:1(9Z)) C53H100O6 833.377 832.75199094 (2S)-1-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl docosanoate (2S)-1-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl docosanoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14,17,50H,4-13,15-16,18-49H2,1-3H3/b17-14-/t50-/m1/s1 OFUDVMKLJSUQRK-CKWAXFGSSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.69 ALOGPS logs -7.88 ALOGPS logp 19.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl docosanoate ChemAxon average_mass 833.377 ChemAxon mono_mass 832.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C53H100O6 ChemAxon inchi InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14,17,50H,4-13,15-16,18-49H2,1-3H3/b17-14-/t50-/m1/s1 ChemAxon inchikey OFUDVMKLJSUQRK-CKWAXFGSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 251.61 ChemAxon polarizability 112.32 ChemAxon rotatable_bond_count 51 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 607360 Specdb::MsMs 607361 Specdb::MsMs 607362 Specdb::MsMs 939490 Specdb::MsMs 939491 Specdb::MsMs 939492 Specdb::MsMs 2313242 Specdb::MsMs 2313243 Specdb::MsMs 2313244 Specdb::MsMs 2461015 Specdb::MsMs 2461016 Specdb::MsMs 2461017 Specdb::MsMs 2477165 Specdb::MsMs 2477166 Specdb::MsMs 2477167 Specdb::MsMs 3057074 Specdb::MsMs 3057075 Specdb::MsMs 3057076 Specdb::MsMs 3087283 Specdb::MsMs 3087284 Specdb::MsMs 3087285 131753360